2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane

C19H50O6 — CID 160847365

IUPAC2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
SMILESC.C.C.C.CCOCC(C)(CO)CO.CCOCC(CC)(CO)CO
InChIInChI=1S/C8H18O3.C7H16O3.4CH4/c1-3-8(5-9,6-10)7-11-4-2;1-3-10-6-7(2,4-8)5-9;;;;/h9-10H,3-7H2,1-2H3;8-9H,3-6H2,1-2H3;4*1H4
InChIKeySIUUWDZUALFDIC-UHFFFAOYSA-N
MW374.60 g/mol
LogP2.96
Rot. Bonds11

About 2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane

2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane (PubChem CID 160847365) has the molecular formula C19H50O6 and a molecular weight of 374.60 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane.

Molecular Properties

Compound Name2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
PubChem CID160847365
Molecular FormulaC19H50O6
Molecular Weight374.60 g/mol
Exact Mass374.36
IUPAC Name2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
SMILESC.C.C.C.CCOCC(C)(CO)CO.CCOCC(CC)(CO)CO
InChIInChI=1S/C8H18O3.C7H16O3.4CH4/c1-3-8(5-9,6-10)7-11-4-2;1-3-10-6-7(2,4-8)5-9;;;;/h9-10H,3-7H2,1-2H3;8-9H,3-6H2,1-2H3;4*1H4
InChIKeySIUUWDZUALFDIC-UHFFFAOYSA-N
XLogP2.96
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.60
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane?
The IUPAC name of 2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane (CID 160847365) is 2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane.
What is the SMILES notation for 2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane?
The canonical SMILES for 2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane is C.C.C.C.CCOCC(C)(CO)CO.CCOCC(CC)(CO)CO.
What is the InChIKey of 2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane?
The InChIKey is SIUUWDZUALFDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C7H16O3.4CH4/c1-3-8(5-9,6-10)7-11-4-2;1-3-10-6-7(2,4-8)5-9;;;;/h9-10H,3-7H2,1-2H3;8-9H,3-6H2,1-2H3;4*1H4.
What are the key properties of 2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane?
2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane has a molecular weight of 374.60 g/mol, XLogP of 2.96, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane is sourced from PubChem (CID 160847365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).